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Bismuth telluride (Bi_2Te_3) based thermoelectric (TE) materials have been commercialized successfully as solid-state power generators, but their low mechanical strength suggests that these materials may not be reliable ...

Monoclinic gallium oxide (? -G a2O3 ) has important applications in power devices and deep UV optoelectronic devices because of such novel properties as a wide band gap, high breakdown electric field, and a wide range of ...

The conversion efficiency ( z T ) of thermoelectric (TE) materials has been enhanced over the last two decades, but their engineering applications are hindered by the poor mechanical properties, especially the low strength ...

Element boron tends to form an icosahedral motif involving 26 electrons, leading to intriguing bonding conditions which complicate understating the structural variations under high pressure. Here we used density function ...

Boron carbide (B4C) is very hard, but its applications are hindered by stress-induced amorphous band formation. To explain this behavior, we used density function theory (Perdew-Burke-Ernzerhof flavor) to examine the ...

The NASA/ESA Cassini probe of Saturn analyzed the molecular composition of plumes emanating from one of its moons, Enceladus, and the upper atmosphere of another, Titan. However, interpretation of this data is complicated ...

The fundamental processes in shock-induced instabilities of materials remain obscure, particularly for detonation of energetic materials. We simulated these processes at the atomic scale on a realistic model of a polymer-bonded ...

Ceramics are strong, but their low fracture toughness prevents extended engineering applications. In particular, boron carbide (B(4)C), the third hardest material in nature, has not been incorporated into many commercial ...

Searching for ultrahard materials is of great interest in scientific research and for industrial applications. Boron carbide (B4C ) is one of the hardest known materials, but its Vickers hardness (30 GPa) is much less than ...

We show that single component metallic glasses can be synthesized by thermal spray coating of nanodroplets onto an amorphous substrate. We demonstrate this using molecular dynamics simulations of nanodroplets up to 30 nm ...